Calculated photoemission, inverse photoemission, and x-ray emission spectra of high-T/sub c/ superconductors: Tl/sub 2/Ba/sub 2/CaCu/sub 2/O/sub 8/ and Tl/sub 2/Ba/sub 2/Ca/sub 2/Cu/sub 3/O/sub 10/

Journal Article · Wed Feb 01 04:00:00 EST 1989 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.39.2894· OSTI ID:6439489

Marksteiner, P; Yu, J; Massidda, S; Freeman, A J; Redinger, J; Weinberger, P

Angle-integrated photoemission, inverse photoemission, and x-ray emission spectra were calculated for Tl/sub 2/Ba/sub 2/CaCu/sub 2/O/sub 8/ and Tl/sub 2/Ba/sub 2/Ca/sub 2/Cu/sub 3/O/sub 10/. All spectra are based on densities of states obtained from local-density full-potential linearized augmented plane-wave (FLAPW) calculations. For the photoemission and inverse photoemission spectra, the single-scatterer final-state approximation was applied. For low photon energies mainly O p states show up in the spectra, and there are appreciable differences between the two compounds. For high photon energies the spectra of both compounds are very similar and show Cu and Tl contributions. The unoccupied states probed by inverse photoemission have mainly O p character with some Tl and Ba contributions. The Cu L/sub III/ x-ray emission spectra of both compounds reflect the Cu d density of states (DOS) and closely resemble each other, whereas the O K..cap alpha.. x-ray emission spectra are narrower than the corresponding DOS because of differences in the core levels of inequivalent O atoms.

• Research Organization: Physics and Astronomy Department and Materials Research Center, Northwestern University, Evanston, Illinois 60208
• OSTI ID: 6439489
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:4; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360603* -- Materials-- Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
CALCIUM COMPOUNDS
CALCIUM OXIDES
CHALCOGENIDES
COLLISIONS
COPPER COMPOUNDS
COPPER OXIDES
ELECTRON COLLISIONS
EMISSION
ENERGY-LEVEL DENSITY
OXIDES
OXYGEN COMPOUNDS
PHOTOEMISSION
SECONDARY EMISSION
SPECTRA
SUPERCONDUCTORS
THALLIUM COMPOUNDS
THALLIUM OXIDES
TRANSITION ELEMENT COMPOUNDS
X-RAY SPECTRA